CID 4167060

2,5-tetrahydrofurandiol

Structural Information

Molecular Formula

C₄H₈O₃

SMILES

C1CC(OC1O)O

InChI

InChI=1S/C4H8O3/c5-3-1-2-4(6)7-3/h3-6H,1-2H2

InChIKey

XCWZSWBOSVVZGV-UHFFFAOYSA-N

Compound name

oxolane-2,5-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 203
Patents: 104.04734 Da
Monoisotopic Mass: -0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	105.05462	117.0
[M+Na]+	127.03656	124.3
[M-H]-	103.04006	118.6
[M+NH4]+	122.08116	139.1
[M+K]+	143.01050	124.8
[M+H-H2O]+	87.044600	113.1
[M+HCOO]-	149.04554	137.6
[M+CH3COO]-	163.06119	158.9
[M+Na-2H]-	125.02201	123.0
[M]+	104.04679	114.4
[M]-	104.04789	114.4

Literature stripe

literature stripe

Patent stripe

patents stripe